1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-(4-methylphenyl)ethanone

C24H31NO2 — CID 57039631

IUPAC1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)C2CC(c3ccc(CN(C)C)cc3)CCC2O)cc1
InChIInChI=1S/C24H31NO2/c1-17-4-6-18(7-5-17)14-24(27)22-15-21(12-13-23(22)26)20-10-8-19(9-11-20)16-25(2)3/h4-11,21-23,26H,12-16H2,1-3H3
InChIKeyRVPQZYIEWTUVIX-UHFFFAOYSA-N
MW365.52 g/mol
LogP4.11
Rot. Bonds6

About 1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-(4-methylphenyl)ethanone

1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-(4-methylphenyl)ethanone (PubChem CID 57039631) has the molecular formula C24H31NO2 and a molecular weight of 365.52 g/mol. Its IUPAC name is 1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-(4-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-(4-methylphenyl)ethanone
PubChem CID57039631
Molecular FormulaC24H31NO2
Molecular Weight365.52 g/mol
Exact Mass365.24
IUPAC Name1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-(4-methylphenyl)ethanone
SMILESCc1ccc(CC(=O)C2CC(c3ccc(CN(C)C)cc3)CCC2O)cc1
InChIInChI=1S/C24H31NO2/c1-17-4-6-18(7-5-17)14-24(27)22-15-21(12-13-23(22)26)20-10-8-19(9-11-20)16-25(2)3/h4-11,21-23,26H,12-16H2,1-3H3
InChIKeyRVPQZYIEWTUVIX-UHFFFAOYSA-N
XLogP4.11
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.52
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methylcyclopropyl)-2-(4-methylphenyl)ethanone
CID 61080285
2-(4-amino-3,5-dichlorophenyl)-1-[3-[4-[(dimethylamino)methyl]phenyl]cyclohexyl]ethanone
CID 56998193
1-(2-methylcyclopentyl)-2-(4-methylphenyl)ethanone
CID 107179336
[4-[4-[(dimethylamino)methyl]phenyl]cyclohexyl] cyclohexanecarboxylate
CID 15347490
1-(2-aminocyclopentyl)-2-(4-methylphenyl)ethanone
CID 116580212
1-[4-(4-methylcyclohexyl)phenyl]-2-(4-methylphenyl)ethanone
CID 59938752
1-cyclobutyl-2-(4-methylphenyl)ethanone
CID 61080102
2-(4-methylphenyl)-1-piperidin-4-ylethanone
CID 82079035
1-cycloheptyl-2-(4-methylphenyl)ethanone
CID 62589073
1-cyclooctyl-2-(4-methylphenyl)ethanone
CID 65018872
2-[methyl-[(4-methylphenyl)methyl]amino]cyclopropane-1-carboxylic acid
CID 117042658
1-(4-tert-butylcyclohexyl)-2-(4-methylphenyl)ethanone
CID 63527515

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-(4-methylphenyl)ethanone?
The IUPAC name of 1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-(4-methylphenyl)ethanone (CID 57039631) is 1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-(4-methylphenyl)ethanone.
What is the SMILES notation for 1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-(4-methylphenyl)ethanone?
The canonical SMILES for 1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-(4-methylphenyl)ethanone is Cc1ccc(CC(=O)C2CC(c3ccc(CN(C)C)cc3)CCC2O)cc1.
What is the InChIKey of 1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-(4-methylphenyl)ethanone?
The InChIKey is RVPQZYIEWTUVIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31NO2/c1-17-4-6-18(7-5-17)14-24(27)22-15-21(12-13-23(22)26)20-10-8-19(9-11-20)16-25(2)3/h4-11,21-23,26H,12-16H2,1-3H3.
What are the key properties of 1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-(4-methylphenyl)ethanone?
1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-(4-methylphenyl)ethanone has a molecular weight of 365.52 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-[(dimethylamino)methyl]phenyl]-2-hydroxycyclohexyl]-2-(4-methylphenyl)ethanone is sourced from PubChem (CID 57039631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).